6-cyclohexyl-1-hydroxycyclohexa-2,4-diene-1-carbaldehyde

C13H18O2 — CID 155797646

IUPAC6-cyclohexyl-1-hydroxycyclohexa-2,4-diene-1-carbaldehyde
SMILESO=CC1(O)C=CC=CC1C1CCCCC1
InChIInChI=1S/C13H18O2/c14-10-13(15)9-5-4-8-12(13)11-6-2-1-3-7-11/h4-5,8-12,15H,1-3,6-7H2
InChIKeyYOQBHLFFQWINQY-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.24
Rot. Bonds2

About 6-cyclohexyl-1-hydroxycyclohexa-2,4-diene-1-carbaldehyde

6-cyclohexyl-1-hydroxycyclohexa-2,4-diene-1-carbaldehyde (PubChem CID 155797646) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 6-cyclohexyl-1-hydroxycyclohexa-2,4-diene-1-carbaldehyde.

Molecular Properties

Compound Name6-cyclohexyl-1-hydroxycyclohexa-2,4-diene-1-carbaldehyde
PubChem CID155797646
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name6-cyclohexyl-1-hydroxycyclohexa-2,4-diene-1-carbaldehyde
SMILESO=CC1(O)C=CC=CC1C1CCCCC1
InChIInChI=1S/C13H18O2/c14-10-13(15)9-5-4-8-12(13)11-6-2-1-3-7-11/h4-5,8-12,15H,1-3,6-7H2
InChIKeyYOQBHLFFQWINQY-UHFFFAOYSA-N
XLogP2.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

bis(1-bromo-6-cyclohexylcyclohexa-2,4-dien-1-yl)methanone
CID 151917256
6-cyclohexyl-5-ethenyl-5-phenylsulfanylcyclohexa-1,3-diene
CID 141423884
6-fluoro-6-hydroxycyclohexa-2,4-diene-1-carbaldehyde
CID 118142391
4-cycloheptylcyclohexane-1-carbaldehyde
CID 118360341
(6-cyclohexyl-6-hydroxycyclohexa-2,4-dien-1-yl)-phenylmethanone
CID 160596200
spiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,5'-cyclopenta-1,3-diene]
CID 59742037
5-cyclopentylcyclopenta-1,3-diene;diiodotitanium
CID 174711329
2-cyclohexyl-2,3,3a,7a-tetrahydro-1H-indene
CID 123436446
6-cyclohexyl-4,4-dimethylcyclohex-2-ene-1-carbaldehyde
CID 174431333
tricyclo[6.2.2.02,7]dodeca-3,5-dien-1-ol
CID 155121820
2-(6-ethenyl-6-hydroxycyclohexa-2,4-dien-1-yl)acetic acid
CID 70574562
2-cyclohexyl-3-hydroxy-5-methyl-2H-furan-5-carbaldehyde
CID 174512238

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-1-hydroxycyclohexa-2,4-diene-1-carbaldehyde?
The IUPAC name of 6-cyclohexyl-1-hydroxycyclohexa-2,4-diene-1-carbaldehyde (CID 155797646) is 6-cyclohexyl-1-hydroxycyclohexa-2,4-diene-1-carbaldehyde.
What is the SMILES notation for 6-cyclohexyl-1-hydroxycyclohexa-2,4-diene-1-carbaldehyde?
The canonical SMILES for 6-cyclohexyl-1-hydroxycyclohexa-2,4-diene-1-carbaldehyde is O=CC1(O)C=CC=CC1C1CCCCC1.
What is the InChIKey of 6-cyclohexyl-1-hydroxycyclohexa-2,4-diene-1-carbaldehyde?
The InChIKey is YOQBHLFFQWINQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c14-10-13(15)9-5-4-8-12(13)11-6-2-1-3-7-11/h4-5,8-12,15H,1-3,6-7H2.
What are the key properties of 6-cyclohexyl-1-hydroxycyclohexa-2,4-diene-1-carbaldehyde?
6-cyclohexyl-1-hydroxycyclohexa-2,4-diene-1-carbaldehyde has a molecular weight of 206.29 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-1-hydroxycyclohexa-2,4-diene-1-carbaldehyde is sourced from PubChem (CID 155797646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).